3-(propan-2-yloxymethyl)furan-2-carbohydrazide

C9H14N2O3 — CID 63576965

IUPAC3-(propan-2-yloxymethyl)furan-2-carbohydrazide
SMILESCC(C)OCc1ccoc1C(=O)NN
InChIInChI=1S/C9H14N2O3/c1-6(2)14-5-7-3-4-13-8(7)9(12)11-10/h3-4,6H,5,10H2,1-2H3,(H,11,12)
InChIKeyVQKFZMZWHHDXRS-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.81
Rot. Bonds4

About 3-(propan-2-yloxymethyl)furan-2-carbohydrazide

3-(propan-2-yloxymethyl)furan-2-carbohydrazide (PubChem CID 63576965) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)furan-2-carbohydrazide
PubChem CID63576965
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(propan-2-yloxymethyl)furan-2-carbohydrazide
SMILESCC(C)OCc1ccoc1C(=O)NN
InChIInChI=1S/C9H14N2O3/c1-6(2)14-5-7-3-4-13-8(7)9(12)11-10/h3-4,6H,5,10H2,1-2H3,(H,11,12)
InChIKeyVQKFZMZWHHDXRS-UHFFFAOYSA-N
XLogP0.81
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethoxypropan-2-yloxymethyl)furan-2-carbohydrazide
CID 103490879
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
3-(3,3-dimethylbutoxymethyl)furan-2-carbohydrazide
CID 66227790
3-[(2,6-dichlorophenoxy)methyl]furan-2-carbohydrazide
CID 63576760
3-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63575637
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576692
3-[(2-fluorophenyl)methoxymethyl]furan-2-carbohydrazide
CID 63937801
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904
3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-2-carbohydrazide
CID 55214365
3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576593

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)furan-2-carbohydrazide?
The IUPAC name of 3-(propan-2-yloxymethyl)furan-2-carbohydrazide (CID 63576965) is 3-(propan-2-yloxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for 3-(propan-2-yloxymethyl)furan-2-carbohydrazide?
The canonical SMILES for 3-(propan-2-yloxymethyl)furan-2-carbohydrazide is CC(C)OCc1ccoc1C(=O)NN.
What is the InChIKey of 3-(propan-2-yloxymethyl)furan-2-carbohydrazide?
The InChIKey is VQKFZMZWHHDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)14-5-7-3-4-13-8(7)9(12)11-10/h3-4,6H,5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-(propan-2-yloxymethyl)furan-2-carbohydrazide?
3-(propan-2-yloxymethyl)furan-2-carbohydrazide has a molecular weight of 198.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63576965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).